(3-ethanoylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium

Systemtic Name: (3-ethanoylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium Openeye Name: (3-acetylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium CAS Name: (3-acetylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethyl]ammonium IUPAC Name: (3-acetylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]azanium Traditional Name: (3-acetylbenzyl)-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)[NH2+]CC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)[C@H](C)[NH2+]CC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H25N3O2/c1-15(23-13-18-6-5-7-19(12-18)17(3)26)22-14-24-25(16(22)2)20-8-10-21(27-4)11-9-20/h5-12,14-15,23H,13H2,1-4H3/p+1/t15-/m0/s1